![CYCLO-[BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL]-DISULFIDE](/api/spectrum/G9LZTAi4mvv/structure.png?h=300&w=458 "CYCLO-[BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL]-DISULFIDE")
| SpectraBase Compound ID | 7ZEMRBQud0j |
|---|---|
| InChI | InChI=1S/C38H64N10O12S2/c1-17(2)25-33(55)39-13-21(45-35(57)59-37(7,8)9)29(51)41-20(6)28(50)44-24-16-62-61-15-23(31(53)47-25)43-27(49)19(5)42-30(52)22(46-36(58)60-38(10,11)12)14-40-34(56)26(18(3)4)48-32(24)54/h17-26H,13-16H2,1-12H3,(H,39,55)(H,40,56)(H,41,51)(H,42,52)(H,43,49)(H,44,50)(H,45,57)(H,46,58)(H,47,53)(H,48,54)/t19-,20-,21-,22+,23-,24-,25-,26-/m0/s1 |
| InChIKey | GDHPFZMFTIXXKG-KAHMZKNESA-N |
| Mol Weight | 917.1 g/mol |
| Molecular Formula | C38H64N10O12S2 |
| Exact Mass | 916.41466 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G9LZTAi4mvv |
|---|---|
| Name | CYCLO-[BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL-BETA-D-DAP-(BOC)-L-ALA-L-CYS-L-VAL]-DISULFIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H64N10O12S2 |
| InChI | InChI=1S/C38H64N10O12S2/c1-17(2)25-33(55)39-13-21(45-35(57)59-37(7,8)9)29(51)41-20(6)28(50)44-24-16-62-61-15-23(31(53)47-25)43-27(49)19(5)42-30(52)22(46-36(58)60-38(10,11)12)14-40-34(56)26(18(3)4)48-32(24)54/h17-26H,13-16H2,1-12H3,(H,39,55)(H,40,56)(H,41,51)(H,42,52)(H,43,49)(H,44,50)(H,45,57)(H,46,58)(H,47,53)(H,48,54)/t19-,20-,21-,22+,23-,24-,25-,26-/m0/s1 |
| InChIKey | GDHPFZMFTIXXKG-KAHMZKNESA-N |
| Literature Reference Author | B.DIETRICH,U.DIEDERICHSEN |
| Literature Reference Citation | EUR.J.ORG.CHEM.,147(2005) |
| Literature Reference DOI | 10.1002/ejoc.200400548 |
| Molecular Weight | 917.106 g/mol |
| Sample ID | 42251 |
| Solvent | DMSO-D6 |